4-{2-cyano-3-[(5-morpholino-1,3,4-thiadiazol-2-yl)amino]-3-oxo-1-propenyl}phenyl 3-methylbenzoate
Chemical Structure Depiction of
4-{2-cyano-3-[(5-morpholino-1,3,4-thiadiazol-2-yl)amino]-3-oxo-1-propenyl}phenyl 3-methylbenzoate
4-{2-cyano-3-[(5-morpholino-1,3,4-thiadiazol-2-yl)amino]-3-oxo-1-propenyl}phenyl 3-methylbenzoate
Compound characteristics
| Compound ID: | C726-2155 |
| Compound Name: | 4-{2-cyano-3-[(5-morpholino-1,3,4-thiadiazol-2-yl)amino]-3-oxo-1-propenyl}phenyl 3-methylbenzoate |
| Molecular Weight: | 475.53 |
| Molecular Formula: | C24 H21 N5 O4 S |
| Smiles: | Cc1cccc(c1)C(=O)Oc1ccc(/C=C(/C#N)C(Nc2nnc(N3CCOCC3)s2)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 4.02 |
| logD: | 3.87 |
| logSw: | -5.31 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 192.39 |
| InChI Key: | DYODOQACYJQVJF-UHFFFAOYSA-N |